CID 135481175

Chembl369303

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O)N=O
InChI
InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,17-18,21H
InChIKey
GIMRHZPQMMMJKH-UHFFFAOYSA-N
Compound name
5-nitro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

18
Patents

322.0702 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 165.8
[M+Na]+ 345.05942 175.6
[M-H]- 321.06292 171.8
[M+NH4]+ 340.10402 180.4
[M+K]+ 361.03336 165.7
[M+H-H2O]+ 305.06746 162.6
[M+HCOO]- 367.06840 190.0
[M+CH3COO]- 381.08405 199.1
[M+Na-2H]- 343.04487 174.3
[M]+ 322.06965 166.9
[M]- 322.07075 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.